2-[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[(1R)-1-methyl-1-[2-oxidanylidene-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-methyl-1-[2-oxo-2-(2-pyrazinylamino)ethyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-[2-oxo-2-(pyrazin-2-ylamino)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[(1R)-1-[2-keto-2-(pyrazin-2-ylamino)ethyl]-1-methyl-piperidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NC=CN=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CC(=O)NC4=NC=CN=C4

InChI

InChI=1S/C26H28N4O4/c1-30(19-24(31)29-23-17-27-14-15-28-23)16-8-13-22(18-30)34-25(32)26(33,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,17,22H,8,13,16,18-19H2,1H3,(H,28,29,31)/t22?,30-/m1/s1